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Merge branch 'master' into ADC

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This commit is contained in:
Mickaël Véril 2020-08-11 12:25:40 +02:00
commit 7c1a30a51a
2 changed files with 2 additions and 2 deletions
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2
content/dataset.html
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@ -111,7 +111,7 @@ draft: false
} }
}) })
if (source !== undefined) { if (source !== undefined) {
for (dat of submol.filter((d) => d !== source)) { for (const dat of submol.filter((d) => d !== source)) {
dat.CopyExcitationsTypeFrom(source) dat.CopyExcitationsTypeFrom(source)
} }
} }

2
static/js/data.js
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@ -347,7 +347,7 @@ class dataFileBase {
} }
}); });
console.assert(double.length === 0, "Double found", double, dat.molecule, dat.method.toString()) console.assert(double.length === 0, "Double found", double, dat.molecule, dat.method.toString())
if (dat.DOI.string !== "10.1021/acs.jctc.8b01205") { if (dat.DOI!== null && dat.DOI.string !== "10.1021/acs.jctc.8b01205") {
for (const ex of dat.excitations) { for (const ex of dat.excitations) {
console.assert(Number.isNaN(ex.T1.valueOf()) | ex.T1 > 50 | ex.isUnsafe == true, "Must be unsafe", dat, ex) console.assert(Number.isNaN(ex.T1.valueOf()) | ex.T1 > 50 | ex.isUnsafe == true, "Must be unsafe", dat, ex)
} }